N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine

C18H28N2O — CID 43818752

IUPACN-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCC1Cc2cc(CN(C)CCN3CCCCC3)ccc2O1
InChIInChI=1S/C18H28N2O/c1-15-12-17-13-16(6-7-18(17)21-15)14-19(2)10-11-20-8-4-3-5-9-20/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyGATDKCNJVQGLMP-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine

N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 43818752) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID43818752
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCC1Cc2cc(CN(C)CCN3CCCCC3)ccc2O1
InChIInChI=1S/C18H28N2O/c1-15-12-17-13-16(6-7-18(17)21-15)14-19(2)10-11-20-8-4-3-5-9-20/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKeyGATDKCNJVQGLMP-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine with MolForge

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Related Compounds

3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211277
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207497
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 46977744
(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126443915
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171667520
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine (CID 43818752) is N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine is CC1Cc2cc(CN(C)CCN3CCCCC3)ccc2O1.
What is the InChIKey of N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is GATDKCNJVQGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-12-17-13-16(6-7-18(17)21-15)14-19(2)10-11-20-8-4-3-5-9-20/h6-7,13,15H,3-5,8-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine?
N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 43818752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).